2-(4-butoxyphenyl)ethanamine; 1-nitro-3-pentyl-benzene

Systemtic Name: 2-(4-butoxyphenyl)ethanamine; 1-nitro-3-pentyl-benzene Openeye Name: 2-(4-butoxyphenyl)ethanamine; 1-nitro-3-pentyl-benzene CAS Name: 2-(4-butoxyphenyl)ethanamine; 1-nitro-3-pentylbenzene IUPAC Name: 2-(4-butoxyphenyl)ethanamine; 1-nitro-3-pentylbenzene Traditional Name: 1-amyl-3-nitro-benzene; 2-(4-butoxyphenyl)ethylamine Formula: C23H34N2O3 MolecularWeight: 386.52766

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC(=CC=C1)[N+](=O)[O-].CCCCOC1=CC=C(C=C1)CCN

Isomeric SMILES

CCCCCC1=CC(=CC=C1)[N+](=O)[O-].CCCCOC1=CC=C(C=C1)CCN

InChI

InChI=1S/C12H19NO.C11H15NO2/c1-2-3-10-14-12-6-4-11(5-7-12)8-9-13;1-2-3-4-6-10-7-5-8-11(9-10)12(13)14/h4-7H,2-3,8-10,13H2,1H3;5,7-9H,2-4,6H2,1H3